N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide

C22H23N3O5 — CID 163380037

IUPACN-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccn3)cc2c1C(=O)NC1(CO)CCCNC1=O
InChIInChI=1S/C22H23N3O5/c1-14-19(20(27)25-22(13-26)8-4-10-24-21(22)28)17-11-16(6-7-18(17)30-14)29-12-15-5-2-3-9-23-15/h2-3,5-7,9,11,26H,4,8,10,12-13H2,1H3,(H,24,28)(H,25,27)
InChIKeyZYYAPFUZYHPIMG-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.09
Rot. Bonds6

About N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide

N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide (PubChem CID 163380037) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide
PubChem CID163380037
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccn3)cc2c1C(=O)NC1(CO)CCCNC1=O
InChIInChI=1S/C22H23N3O5/c1-14-19(20(27)25-22(13-26)8-4-10-24-21(22)28)17-11-16(6-7-18(17)30-14)29-12-15-5-2-3-9-23-15/h2-3,5-7,9,11,26H,4,8,10,12-13H2,1H3,(H,24,28)(H,25,27)
InChIKeyZYYAPFUZYHPIMG-UHFFFAOYSA-N
XLogP2.09
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide (CID 163380037) is N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccn3)cc2c1C(=O)NC1(CO)CCCNC1=O.
What is the InChIKey of N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide?
The InChIKey is ZYYAPFUZYHPIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14-19(20(27)25-22(13-26)8-4-10-24-21(22)28)17-11-16(6-7-18(17)30-14)29-12-15-5-2-3-9-23-15/h2-3,5-7,9,11,26H,4,8,10,12-13H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide?
N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).